CID 3302950

477334-26-2

Structural Information

Molecular Formula
C19H23NO
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C19H23NO/c1-14(2)16-8-10-18(11-9-16)20-13-12-19(21)17-6-4-15(3)5-7-17/h4-11,14,20H,12-13H2,1-3H3
InChIKey
FVJWGQSHSZDMAP-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-(4-propan-2-ylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 169.1
[M+Na]+ 304.16720 174.2
[M-H]- 280.17070 175.4
[M+NH4]+ 299.21180 184.6
[M+K]+ 320.14114 170.1
[M+H-H2O]+ 264.17524 161.0
[M+HCOO]- 326.17618 191.2
[M+CH3COO]- 340.19183 207.1
[M+Na-2H]- 302.15265 171.0
[M]+ 281.17743 169.5
[M]- 281.17853 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.